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Information card for entry 7160633
Preview
| Coordinates | 7160633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H30 O3 S2 |
|---|---|
| Calculated formula | C22 H30 O3 S2 |
| Title of publication | Asymmetric synthesis and biological evaluation of ottensinin and its analogues |
| Authors of publication | Liang, Jun-Ting; Xu, Zichen; Xie, Yong-Bin; Chen, Wen-Tao; He, Yu-Tao; Hu, Ya-Jian |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.0253 ± 0.0002 Å |
| b | 7.5941 ± 0.0002 Å |
| c | 20.2221 ± 0.0007 Å |
| α | 90° |
| β | 95.857 ± 0.003° |
| γ | 90° |
| Cell volume | 1073.23 ± 0.06 Å3 |
| Cell temperature | 169.99 ± 0.1 K |
| Ambient diffraction temperature | 169.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.0688 |
| Weighted residual factors for significantly intense reflections | 0.178 |
| Weighted residual factors for all reflections included in the refinement | 0.1796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301229 (current) | 2025-07-11 | cif/ Adding structures of 7160633, 7160634, 7160635 via cif-deposit CGI script. |
7160633.cif |
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Users of the data should acknowledge the original authors of the
structural data.